Summary

IMPPAT Phytochemical identifier: IMPHY012584

Phytochemical name: Dihydronepetalactone

Synonymous chemical names:
dihydro nepetalactone, dihydronepetalactone, dihydronepetalactone 7, dihydronepetalactone n3

External chemical identifiers:
CID:519465, SureChEMBL:SCHEMBL4636087

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Chemical structure information

SMILES:
CC1COC(=O)C2C1CCC2C

InChI:
InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3

InChIKey:
LSRNBGXEEKNZHN-UHFFFAOYSA-N

DeepSMILES:
CCCOC=O)CC6CCC5C

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCC2CCCC12

Scaffold Graph/Node level:
OC1OCCC2CCCC21

Scaffold Graph level:
CC1CCCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 2.68

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Chemical structure download